1MTS

FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1994-11
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	63.300, 69.300, 63.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.179
Rwork	0.179
Structure solution method	DIFFERENCE FOURIER
RMSD bond length	0.008
RMSD bond angle	24.500 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.029	0.087
Total number of observations	49006 *
Number of reflections	22069
<I/σ(I)>	12	3
Completeness [%]	96.8	92.6
Redundancy	2.2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	20 *	Bode, W., (1990) Eur.J.Biochem., 193, 175. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-30 (mg/ml)
2	1	reservoir	ammonium sulfate	1.7-1.8 (M)
3	1	reservoir		1 (mM)
4	1	reservoir	benzamidine